Focused On-demand Library for Cartilage intermediate layer protein 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O75339

UPID:

CILP1_HUMAN

Alternative names:

Cartilage intermediate-layer protein

Alternative UPACC:

O75339; B2R8F7; Q6UW99; Q8IYI5

Background:

Cartilage intermediate layer protein 1, alternatively known as Cartilage intermediate-layer protein, plays a crucial role in cartilage scaffolding. It is instrumental in modulating key growth factors, notably by antagonizing the functions of TGF-beta1 (TGFB1) and IGF1. This protein's ability to suppress IGF1-induced proliferation and sulfated proteoglycan synthesis, alongside inhibiting IGF1R autophosphorylation, underscores its regulatory significance in cartilage dynamics.

Therapeutic significance:

Given its involvement in Intervertebral disc disease, a condition marked by the degeneration of lumbar spine intervertebral disks leading to pain, the study of Cartilage intermediate layer protein 1 holds promise for novel therapeutic strategies. Its regulatory role in cartilage matrix composition and potential to influence disease progression makes it a target of interest in musculoskeletal disorder treatment.